(5Z)-3-(4-fluorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one

C17H13FN2O3S — CID 1360981

IUPAC(5Z)-3-(4-fluorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(O)c(OC)c2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O3S/c1-23-14-8-10(2-7-13(14)21)9-15-16(22)20(17(19)24-15)12-5-3-11(18)4-6-12/h2-9,19,21H,1H3/b15-9-,19-17-
InChIKeyVJFSYLSQDUCJAY-PRUKMKNLSA-N
MW344.37 g/mol
LogP3.60
Rot. Bonds3

About (5Z)-3-(4-fluorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one

(5Z)-3-(4-fluorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one (PubChem CID 1360981) has the molecular formula C17H13FN2O3S and a molecular weight of 344.37 g/mol. Its IUPAC name is (5Z)-3-(4-fluorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(4-fluorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
PubChem CID1360981
Molecular FormulaC17H13FN2O3S
Molecular Weight344.37 g/mol
Exact Mass344.06
IUPAC Name(5Z)-3-(4-fluorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(O)c(OC)c2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O3S/c1-23-14-8-10(2-7-13(14)21)9-15-16(22)20(17(19)24-15)12-5-3-11(18)4-6-12/h2-9,19,21H,1H3/b15-9-,19-17-
InChIKeyVJFSYLSQDUCJAY-PRUKMKNLSA-N
XLogP3.60
TPSA73.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-(4-Hydroxy-3-methoxy-benzylidene)-2-(2-methoxy-phenylimino)-thiazolidin-4-one
CID 135547290
3-(4-Fluorophenyl)-2-imino-5-(4-methoxybenzylidene)-1,3-thiazolidin-4-one
CID 1361026
(Z)-5-(4-hydroxy-3-methoxybenzylidene)-3-(methyl(phenyl)amino)-2-thioxothiazolidin-4-one
CID 1561908
(Z)-5-(3-ethoxy-4-hydroxybenzylidene)-3-(4-ethoxyphenyl)thiazolidine-2,4-dione
CID 2004955
(5Z)-5-(3,4-dimethoxybenzylidene)-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one
CID 16188481
(Z)-5-(4-hydroxy-3-methoxybenzylidene)-3-(4-hydroxyphenyl)-2-thioxothiazolidin-4-one
CID 1230203
5-(4-Hydroxy-3-methoxybenzylidene)-3-phenyl-2-(phenylimino)-1,3-thiazolidin-4-one
CID 1377804
5-[(Z)-1-(3,4-dimethoxyphenyl)methylidene]-2-(4-hydroxyanilino)-1,3-thiazol-4-one
CID 135438929
3-(4-Fluorophenyl)-5-(4-hydroxybenzylidene)-2-imino-1,3-thiazolidin-4-one
CID 1258959
(5Z)-3-(4-ethoxyphenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2000795
2-[(4Z)-1-[4-(difluoromethoxy)phenyl]-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-5-oxoimidazol-2-yl]sulfanylpropanamide
CID 24240004
(Z,Z)-5-(4-Hydroxy-3-methoxy-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 46236810

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-fluorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-(4-fluorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one (CID 1360981) is (5Z)-3-(4-fluorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-(4-fluorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-(4-fluorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2ccc(O)c(OC)c2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of (5Z)-3-(4-fluorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
The InChIKey is VJFSYLSQDUCJAY-PRUKMKNLSA-N. The full InChI is InChI=1S/C17H13FN2O3S/c1-23-14-8-10(2-7-13(14)21)9-15-16(22)20(17(19)24-15)12-5-3-11(18)4-6-12/h2-9,19,21H,1H3/b15-9-,19-17-.
What are the key properties of (5Z)-3-(4-fluorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
(5Z)-3-(4-fluorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one has a molecular weight of 344.37 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-fluorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 1360981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).